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6-Chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzo[de]isoquinoline-1,3-dione
TL;DR: 6-Chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzo[de]isoquinoline-1,3-dione (CAS 328016-17-7) is a chemical compound with molecular formula C20H11ClN2O2S and molecular weight 378.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzo[de]isoquinoline-1,3-dione
Also Known As: 6-chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzo[de]isoquinoline-1,3-dione, 6-chloro-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C20H11ClN2O2S |
|---|---|
| Molecular Weight | 378.02 g/mol |
| LogP | 5.21192 |
| Topological Polar Surface Area | 50.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 378.02298 |
| Heavy Atoms | 26 |
| Complexity | 1239.3795 |
Chemical Identifiers
| CAS Number | 328016-17-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)N3C(=O)C4=C5C(=C(C=C4)Cl)C=CC=C5C3=O |
Product Overview
6-Chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzo[de]isoquinoline-1,3-dione (CAS 328016-17-7), with molecular formula C20H11ClN2O2S and molecular weight 378.02 g/mol. IUPAC: 6-chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 6-Chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzo[de]isoquinoline-1,3-dione
Property Insights of 6-Chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzo[de]isoquinoline-1,3-dione
The XLogP value of 5.21192 indicates that 6-Chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzo[de]isoquinoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.27 Ų, 6-Chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzo[de]isoquinoline-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzo[de]isoquinoline-1,3-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzo[de]isoquinoline-1,3-dione?
The CAS number of 6-Chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzo[de]isoquinoline-1,3-dione is 328016-17-7.
What is the molecular formula of 6-Chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzo[de]isoquinoline-1,3-dione?
The molecular formula of 6-Chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzo[de]isoquinoline-1,3-dione is C20H11ClN2O2S.
What is the molecular weight of 6-Chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzo[de]isoquinoline-1,3-dione?
The molecular weight of 6-Chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzo[de]isoquinoline-1,3-dione is 378.02 g/mol.
Where can I buy 6-Chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzo[de]isoquinoline-1,3-dione?
You can request a quote for 6-Chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzo[de]isoquinoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzo[de]isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzo[de]isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.